4-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=CN3N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=CN3N)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O2S/c1-13-8-17-16(10-20(25)26-19(17)9-14(13)2)12-27-21-23-18(11-24(21)22)15-6-4-3-5-7-15/h3-11H,12,22H2,1-2H3